Vibrational and Internal Rotational Modes of CF3OCF3


Level of Theory : BLYPdDFT/6-31G(d,p)


Scale Factor : 0.994


Frequency unit : 1/cm

 


1                     30.4
Scaled : 30.2
2                     100.8
Scaled : 100.2
3                     171.2
Scaled : 170.2

4                     318.6
Scaled : 316.7
5                     335.5
Scaled : 333.4
6                     345.4
Scaled : 343.4

7                     440.5
Scaled : 437.9
8                     492.8
Scaled : 489.8
9                     532.7
Scaled : 529.5

10                     549.9
Scaled : 546.6
11                     614.3
Scaled : 610.6
12                     650.6
Scaled : 646.7

13                     699.0
Scaled : 694.8
14                     800.8
Scaled : 796.0
15                     918.5
Scaled : 913.0

16                     1074.4
Scaled : 1067.9
17                     1163.2
Scaled : 1156.2
18                     1190.9
Scaled : 1183.7

19                     1208.3
Scaled : 1201.1
20                     1212.4
Scaled : 1205.1
21                     1280.3
Scaled : 1272.6

These movies were created by Bangwu Jiang and David Keffer in the Department of Chemical Engineering at the University of Tennessee, using a combination of Gaussian98 and home-made codes. Please do not reproduce them without our consent. We can be reached via email at dkeffer@utk.edu.